bis(2-methanidylpropane);titanium(2+);dihydrobromide

C8H20Br2Ti — CID 175007215

IUPACbis(2-methanidylpropane);titanium(2+);dihydrobromide
SMILESBr.Br.[CH2-]C(C)C.[CH2-]C(C)C.[Ti+2]
InChIInChI=1S/2C4H9.2BrH.Ti/c2*1-4(2)3;;;/h2*4H,1H2,2-3H3;2*1H;/q2*-1;;;+2
InChIKeyVZFNNTCVDHSKEX-UHFFFAOYSA-N
MW323.92 g/mol
LogP4.11
Rot. Bonds

About bis(2-methanidylpropane);titanium(2+);dihydrobromide

bis(2-methanidylpropane);titanium(2+);dihydrobromide (PubChem CID 175007215) has the molecular formula C8H20Br2Ti and a molecular weight of 323.92 g/mol. Its IUPAC name is bis(2-methanidylpropane);titanium(2+);dihydrobromide.

Molecular Properties

Compound Namebis(2-methanidylpropane);titanium(2+);dihydrobromide
PubChem CID175007215
Molecular FormulaC8H20Br2Ti
Molecular Weight323.92 g/mol
Exact Mass321.94
IUPAC Namebis(2-methanidylpropane);titanium(2+);dihydrobromide
SMILESBr.Br.[CH2-]C(C)C.[CH2-]C(C)C.[Ti+2]
InChIInChI=1S/2C4H9.2BrH.Ti/c2*1-4(2)3;;;/h2*4H,1H2,2-3H3;2*1H;/q2*-1;;;+2
InChIKeyVZFNNTCVDHSKEX-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.92
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-methanidylpropane);titanium(2+);dihydrobromide?
The IUPAC name of bis(2-methanidylpropane);titanium(2+);dihydrobromide (CID 175007215) is bis(2-methanidylpropane);titanium(2+);dihydrobromide.
What is the SMILES notation for bis(2-methanidylpropane);titanium(2+);dihydrobromide?
The canonical SMILES for bis(2-methanidylpropane);titanium(2+);dihydrobromide is Br.Br.[CH2-]C(C)C.[CH2-]C(C)C.[Ti+2].
What is the InChIKey of bis(2-methanidylpropane);titanium(2+);dihydrobromide?
The InChIKey is VZFNNTCVDHSKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.2BrH.Ti/c2*1-4(2)3;;;/h2*4H,1H2,2-3H3;2*1H;/q2*-1;;;+2.
What are the key properties of bis(2-methanidylpropane);titanium(2+);dihydrobromide?
bis(2-methanidylpropane);titanium(2+);dihydrobromide has a molecular weight of 323.92 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methanidylpropane);titanium(2+);dihydrobromide is sourced from PubChem (CID 175007215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).